| SpectraBase Compound ID | EkcX3k9pUzA |
|---|---|
| InChI | InChI=1S/2C21H23NO4/c2*1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h2*4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t2*13?,19-/m11/s1 |
| InChIKey | LXOMQPWBCQOARY-ZHUNPHBXSA-N |
| Mol Weight | 706.84 g/mol |
| Molecular Formula | C42H46N2O8 |
| Exact Mass | 706.325416 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GoLOOkwZNgM |
|---|---|
| Name | N-((9-Fluorenyl)methoxycarbonyl)-L-isoleucine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 706.325416441 u |
| Formula | C42H46N2O8 |
| InChI | InChI=1S/2C21H23NO4/c2*1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h2*4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t2*13?,19-/m11/s1 |
| InChIKey | LXOMQPWBCQOARY-ZHUNPHBXSA-N |
| Molecular Weight | 706.836 g/mol |
| Nominal Mass | 706 u |
| SMILES | C(O)(=O)[C@](NC(OCC1C=2C=CC=CC2C=2C=CC=CC12)=O)(C(CC)C)[H].C1=CC=2C(C=3C=CC=CC3C2C=C1)COC(N[C@]([H])(C(CC)C)C(O)=O)=O |